6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide

C13H9BrF2N2O — CID 103875325

IUPAC6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cccc(Br)n1
InChIInChI=1S/C13H9BrF2N2O/c14-12-3-1-2-11(18-12)13(19)17-7-8-6-9(15)4-5-10(8)16/h1-6H,7H2,(H,17,19)
InChIKeyBZSDAXNWFRWOMI-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.05
Rot. Bonds3

About 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide

6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 103875325) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID103875325
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cccc(Br)n1
InChIInChI=1S/C13H9BrF2N2O/c14-12-3-1-2-11(18-12)13(19)17-7-8-6-9(15)4-5-10(8)16/h1-6H,7H2,(H,17,19)
InChIKeyBZSDAXNWFRWOMI-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 115497663
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131895381
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 103874071
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide (CID 103875325) is 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1cc(F)ccc1F)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is BZSDAXNWFRWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-12-3-1-2-11(18-12)13(19)17-7-8-6-9(15)4-5-10(8)16/h1-6H,7H2,(H,17,19).
What are the key properties of 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide?
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 327.13 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103875325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).